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Phys Rev E Stat Nonlin Soft Matter Phys. 2013 Jan;87(1):012305. Epub 2013 Jan 10.

Crystallization on prestructured seeds.

Author information

1
Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090 Wien, Austria.

Abstract

The crystallization transition of an undercooled monodisperse Lennard-Jones fluid in the presence of small prestructured seeds is studied with transition path sampling combined with molecular dynamics simulations. Compared to the homogeneous crystallization, clusters of a few particles arranged into a face- and body-centered cubic structure enhance the crystallization, while icosahedrally ordered seeds do not change the reaction rate. We identify two distinct nucleation regimes-close to the seed and in the bulk. Crystallites form close to the face- and body-centered structures and tend to stay away from the icosahedrally ordered seeds.

PMID:
23410329
DOI:
10.1103/PhysRevE.87.012305
[Indexed for MEDLINE]

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